5-bromo-N-[2-(cyclopropylamino)-2-oxoethyl]thiophene-3-carboxamide

C10H11BrN2O2S — CID 43424485

IUPAC5-bromo-N-[2-(cyclopropylamino)-2-oxoethyl]thiophene-3-carboxamide
SMILESO=C(CNC(=O)c1csc(Br)c1)NC1CC1
InChIInChI=1S/C10H11BrN2O2S/c11-8-3-6(5-16-8)10(15)12-4-9(14)13-7-1-2-7/h3,5,7H,1-2,4H2,(H,12,15)(H,13,14)
InChIKeyGMPSKWTYWBRKJP-UHFFFAOYSA-N
MW303.18 g/mol
LogP1.52
Rot. Bonds4

About 5-bromo-N-[2-(cyclopropylamino)-2-oxoethyl]thiophene-3-carboxamide

5-bromo-N-[2-(cyclopropylamino)-2-oxoethyl]thiophene-3-carboxamide (PubChem CID 43424485) has the molecular formula C10H11BrN2O2S and a molecular weight of 303.18 g/mol. Its IUPAC name is 5-bromo-N-[2-(cyclopropylamino)-2-oxoethyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-(cyclopropylamino)-2-oxoethyl]thiophene-3-carboxamide
PubChem CID43424485
Molecular FormulaC10H11BrN2O2S
Molecular Weight303.18 g/mol
Exact Mass301.97
IUPAC Name5-bromo-N-[2-(cyclopropylamino)-2-oxoethyl]thiophene-3-carboxamide
SMILESO=C(CNC(=O)c1csc(Br)c1)NC1CC1
InChIInChI=1S/C10H11BrN2O2S/c11-8-3-6(5-16-8)10(15)12-4-9(14)13-7-1-2-7/h3,5,7H,1-2,4H2,(H,12,15)(H,13,14)
InChIKeyGMPSKWTYWBRKJP-UHFFFAOYSA-N
XLogP1.52
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.18
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-[2-(cyclopropylamino)ethyl]thiophene-3-carboxamide
CID 103806386
5-bromo-N-(2-bromoprop-2-enyl)thiophene-3-carboxamide
CID 115594394
5-bromo-N-piperidin-4-ylthiophene-3-carboxamide
CID 103629654
5-bromo-N-(cyclobutylmethyl)thiophene-3-carboxamide
CID 33383602
5-bromo-N-[(4-ethylcyclohexyl)methyl]thiophene-3-carboxamide
CID 63525997
N-(2-amino-2-hydroxyiminoethyl)-5-bromothiophene-3-carboxamide
CID 107965115
5-bromo-N-[(4-methylcyclohexyl)methyl]thiophene-3-carboxamide
CID 61380978
5-bromo-N-[2-(cyclopropylamino)-2-oxoethyl]-4-methylthiophene-2-carboxamide
CID 79929074
3-carbamothioyl-N-[2-(cyclopropylamino)-2-oxoethyl]benzamide
CID 43568522
5-bromo-N-[(2-bromocyclopentyl)methyl]thiophene-3-carboxamide
CID 107966151
5-bromo-N-(1-cyclobutylethyl)thiophene-3-carboxamide
CID 115769121
3-(2-aminoethoxy)-N-[2-(cyclopropylamino)-2-oxoethyl]benzamide
CID 118793810

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(cyclopropylamino)-2-oxoethyl]thiophene-3-carboxamide?
The IUPAC name of 5-bromo-N-[2-(cyclopropylamino)-2-oxoethyl]thiophene-3-carboxamide (CID 43424485) is 5-bromo-N-[2-(cyclopropylamino)-2-oxoethyl]thiophene-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-(cyclopropylamino)-2-oxoethyl]thiophene-3-carboxamide?
The canonical SMILES for 5-bromo-N-[2-(cyclopropylamino)-2-oxoethyl]thiophene-3-carboxamide is O=C(CNC(=O)c1csc(Br)c1)NC1CC1.
What is the InChIKey of 5-bromo-N-[2-(cyclopropylamino)-2-oxoethyl]thiophene-3-carboxamide?
The InChIKey is GMPSKWTYWBRKJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2O2S/c11-8-3-6(5-16-8)10(15)12-4-9(14)13-7-1-2-7/h3,5,7H,1-2,4H2,(H,12,15)(H,13,14).
What are the key properties of 5-bromo-N-[2-(cyclopropylamino)-2-oxoethyl]thiophene-3-carboxamide?
5-bromo-N-[2-(cyclopropylamino)-2-oxoethyl]thiophene-3-carboxamide has a molecular weight of 303.18 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(cyclopropylamino)-2-oxoethyl]thiophene-3-carboxamide is sourced from PubChem (CID 43424485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).